Matsubara frequency

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In thermal quantum field theory, the Matsubara frequency summation (named after Takeo Matsubara) is a technique used to simplify calculations involving Euclidean (imaginary time) path integrals.[1] In thermal quantum field theory, bosonic and fermionic quantum fields ϕ(τ) are respectively periodic or antiperiodic in imaginary time τ, with periodicity β=/kBT. Matsubara summation refers to the technique of expanding these fields in Fourier series ϕ(τ)=1βneiωnτϕ(iωn)ϕ(iωn)=1β0βdτeiωnτϕ(τ). The frequencies ωn are called the Matsubara frequencies, taking values from either of the following sets (with n):

bosonic frequencies: ωn=2nπβ,
fermionic frequencies: ωn=(2n+1)πβ,

which respectively enforce periodic and antiperiodic boundary conditions on the field ϕ(τ). Once such substitutions have been made, certain diagrams contributing to the action take the form of a so-called Matsubara summation Sη=1βiωng(iωn). The summation will converge if g(z=iω) tends to 0 in z limit in a manner faster than z1. The summation over bosonic frequencies is denoted as SB (with η=+1), while that over fermionic frequencies is denoted as SF (with η=1). η is the statistical sign. In addition to thermal quantum field theory, the Matsubara frequency summation method also plays an essential role in the diagrammatic approach to solid-state physics, namely, if one considers the diagrams at finite temperature.[2] [3] [4] Generally speaking, if at T=0K, a certain Feynman diagram is represented by an integral T=0dωg(ω), at finite temperature it is given by the sum Sη.

Summation formalism

General formalism

Figure 1.
Figure 2.

The trick to evaluate Matsubara frequency summation is to use a Matsubara weighting function hη(z) that has simple poles located exactly at z=iωn.[4] The weighting functions in the boson case η = +1 and fermion case η = −1 differ. The choice of weighting function will be discussed later. With the weighting function, the summation can be replaced by a contour integral surrounding the imaginary axis.

Sη=1βiωg(iω)=12πiβg(z)hη(z)dz,

As in Fig. 1, the weighting function generates poles (red crosses) on the imaginary axis. The contour integral picks up the residue of these poles, which is equivalent to the summation. This procedure is sometimes called Sommerfeld-Watson transformation.[5] By deformation of the contour lines to enclose the poles of g(z) (the green cross in Fig. 2), the summation can be formally accomplished by summing the residue of g(z)hη(z) over all poles of g(z),

Sη=1βz0g(z) polesResg(z0)hη(z0).

Note that a minus sign is produced, because the contour is deformed to enclose the poles in the clockwise direction, resulting in the negative residue.

Choice of Matsubara weighting function

To produce simple poles on boson frequencies z=iωn, either of the following two types of Matsubara weighting functions can be chosen

hB(1)(z)=β1eβz=βnB(z)=β(1+nB(z)),
hB(2)(z)=β1eβz=βnB(z),

depending on which half plane the convergence is to be controlled in. hB(1)(z) controls the convergence in the left half plane (Re z < 0), while hB(2)(z) controls the convergence in the right half plane (Re z > 0). Here nB(z)=(eβz1)1 is the Bose–Einstein distribution function. The case is similar for fermion frequencies. There are also two types of Matsubara weighting functions that produce simple poles at z=iωm

hF(1)(z)=β1+eβz=βnF(z)=β(1nF(z)),
hF(2)(z)=β1+eβz=βnF(z).

hF(1)(z) controls the convergence in the left half plane (Re z < 0), while hF(2)(z) controls the convergence in the right half plane (Re z > 0). Here nF(z)=(eβz+1)1 is the Fermi–Dirac distribution function. In the application to Green's function calculation, g(z) always have the structure

g(z)=G(z)ezτ,

which diverges in the left half plane given 0 < τ < β. So as to control the convergence, the weighting function of the first type is always chosen hη(z)=hη(1)(z). However, there is no need to control the convergence if the Matsubara summation does not diverge. In that case, any choice of the Matsubara weighting function will lead to identical results.

Table of Matsubara frequency summations

The following table contains Sη=1βiωg(iω) for some simple rational functions g(z). The symbol η = ±1 is the statistical sign, +1 for bosons and -1 for fermions.

g(iω) Sη
(iωξ)1 ηnη(ξ)[1]
(iωξ)2 ηnη(ξ)=βnη(ξ)(η+nη(ξ))
(iωξ)n η(n1)!ξn1nη(ξ)
1(iωξ1)(iωξ2) η(nη(ξ1)nη(ξ2))ξ1ξ2
1(iωξ1)2(iωξ2)2 η(ξ1ξ2)2(2(nη(ξ1)nη(ξ2))ξ1ξ2(nη(ξ1)+nη(ξ2)))
1(iωξ1)2ξ22 ηcη(ξ1,ξ2)ηnη(ξ1+ξ2)nη(ξ1ξ2)2ξ2
1(iω)2ξ2 ηcη(0,ξ)=12ξ(1+2ηnη(ξ))
(iω)2(iω)2ξ2 ξ2(1+2ηnη(ξ))[1]
1((iω)2ξ2)2 η2ξ2(cη(0,ξ)+nη(ξ))
(iω)2((iω)2ξ2)2 η2(cη(0,ξ)nη(ξ))
(iω)2+ξ2((iω)2ξ2)2 ηnη(ξ)=βnη(ξ)(η+nη(ξ))
1((iω)2ξ12)((iω)2ξ22) η(cη(0,ξ1)cη(0,ξ2))ξ12ξ22
(1(iω)2ξ12+1(iω)2ξ22)2 η(3ξ12+ξ222ξ12(ξ12ξ22)cη(0,ξ1)nη(ξ1)2ξ12)+(12)[2]
(1(iω)2ξ121(iω)2ξ22)2 η(5ξ12ξ222ξ12(ξ12ξ22)cη(0,ξ1)nη(ξ1)2ξ12)+(12)[2]

[1] Since the summation does not converge, the result may differ upon different choice of the Matsubara weighting function. [2] (1 ↔ 2) denotes the same expression as the before but with index 1 and 2 interchanged.

Applications in physics

Zero temperature limit

In this limit β, the Matsubara frequency summation is equivalent to the integration of imaginary frequency over imaginary axis.

1βiω=iid(iω)2πi.

Some of the integrals do not converge. They should be regularized by introducing the frequency cutoff Ω, and then subtracting the divergent part (Ω-dependent) from the integral before taking the limit of Ω. For example, the free energy is obtained by the integral of logarithm,

ηlimΩ[iΩiΩd(iω)2πi(ln(iω+ξ)πξ2Ω)Ωπ(lnΩ1)]={0ξ0,ηξξ<0,

meaning that at zero temperature, the free energy simply relates to the internal energy below the chemical potential. Also the distribution function is obtained by the following integral

ηlimΩiΩiΩd(iω)2πi(1iω+ξπ2Ω)={0ξ0,ηξ<0,

which shows step function behavior at zero temperature.

Green's function related

Time domain

Consider a function G(τ) defined on the imaginary time interval (0,β). It can be given in terms of Fourier series,

G(τ)=1βiωG(iω)eiωτ,

where the frequency only takes discrete values spaced by 2π/β. The particular choice of frequency depends on the boundary condition of the function G(τ). In physics, G(τ) stands for the imaginary time representation of Green's function

G(τ)=𝒯τψ(τ)ψ*(0).

It satisfies the periodic boundary condition G(τ+β)=G(τ) for a boson field. While for a fermion field the boundary condition is anti-periodic G(τ + β) = −G(τ). Given the Green's function G() in the frequency domain, its imaginary time representation G(τ) can be evaluated by Matsubara frequency summation. Depending on the boson or fermion frequencies that is to be summed over, the resulting G(τ) can be different. To distinguish, define

Gη(τ)={GB(τ),if η=+1,GF(τ),if η=1,

with

GB(τ)=1βiωnG(iωn)eiωnτ,
GF(τ)=1βiωmG(iωm)eiωmτ.

Note that τ is restricted in the principal interval (0,β). The boundary condition can be used to extend G(τ) out of the principal interval. Some frequently used results are concluded in the following table.

G(iω) Gη(τ)
(iωξ)1 eξ(βτ)nη(ξ)
(iωξ)2 eξ(βτ)nη(ξ)(τ+ηβnη(ξ))
(iωξ)3 12eξ(βτ)nη(ξ)(τ2+ηβ(β+2τ)nη(ξ)+2β2nη2(ξ))
(iωξ1)1(iωξ2)1 eξ1(βτ)nη(ξ1)eξ2(βτ)nη(ξ2)ξ1ξ2
(ω2+m2)1 emτ2m+ηmcoshmτnη(m)
iω(ω2+m2)1 emτ2ηsinhmτnη(m)

Operator switching effect

The small imaginary time plays a critical role here. The order of the operators will change if the small imaginary time changes sign.

ψψ*=𝒯τψ(τ=0+)ψ*(0)=Gη(τ=0+)=1βiωG(iω)eiω0+
ψ*ψ=η𝒯τψ(τ=0)ψ*(0)=ηGη(τ=0)=ηβiωG(iω)eiω0+

Distribution function

The evaluation of distribution function becomes tricky because of the discontinuity of Green's function G(τ) at τ = 0. To evaluate the summation

G(0)=iω(iωξ)1,

both choices of the weighting function are acceptable, but the results are different. This can be understood if we push G(τ) away from τ = 0 a little bit, then to control the convergence, we must take hη(1)(z) as the weighting function for G(τ=0+), and hη(2)(z) for G(τ=0). Bosons

GB(τ=0)=1βiωneiωn0+iωnξ=nB(ξ),
GB(τ=0+)=1βiωneiωn0+iωnξ=(nB(ξ)+1).

Fermions

GF(τ=0)=1βiωmeiωm0+iωmξ=nF(ξ),
GF(τ=0+)=1βiωmeiωm0+iωmξ=nF(ξ)1.

Free energy

Bosons

1βiωnln(β(iωn+ξ))=1βln(1eβξ),

Fermions

1βiωmln(β(iωm+ξ))=1βln(1+eβξ).

Diagram evaluations

Frequently encountered diagrams are evaluated here with the single mode setting. Multiple mode problems can be approached by a spectral function integral. Here ωm is a fermionic Matsubara frequency, while ωn is a bosonic Matsubara frequency.

Fermion self energy

Σ(iωm)=1βiωn1iωm+iωnε1iωnΩ=nF(ε)+nB(Ω)iωmε+Ω.

Particle-hole bubble

Π(iωn)=1βiωm1iωm+iωnε1iωmε=nF(ε)nF(ε)iωnε+ε.

Particle-particle bubble

Π(iωn)=1βiωm1iωm+iωnε1iωmε=1nF(ε)nF(ε)iωnεε.

Appendix: Properties of distribution functions

Distribution functions

The general notation nη stands for either Bose (η = +1) or Fermi (η = −1) distribution function

nη(ξ)=1eβξη.

If necessary, the specific notations nB and nF are used to indicate Bose and Fermi distribution functions respectively

nη(ξ)={nB(ξ),if η=+1,nF(ξ),if η=1.

Relation to hyperbolic functions

The Bose distribution function is related to hyperbolic cotangent function by

nB(ξ)=12(cothβξ21).

The Fermi distribution function is related to hyperbolic tangent function by

nF(ξ)=12(1tanhβξ2).

Parity

Both distribution functions do not have definite parity,

nη(ξ)=ηnη(ξ).

Another formula is in terms of the cη function

nη(ξ)=nη(ξ)+2ξcη(0,ξ).

However their derivatives have definite parity.

Bose–Fermi transmutation

Bose and Fermi distribution functions transmute under a shift of the variable by the fermionic frequency,

nη(iωm+ξ)=nη(ξ).

However shifting by bosonic frequencies does not make any difference.

Derivatives

First order

nB(ξ)=β4csch2βξ2,
nF(ξ)=β4sech2βξ2.

In terms of product:

nη(ξ)=βnη(ξ)(1+ηnη(ξ)).

In the zero temperature limit:

nη(ξ)=ηδ(ξ) as β.

Second order

nB(ξ)=β24csch2βξ2cothβξ2,
nF(ξ)=β24sech2βξ2tanhβξ2.

Formula of difference

nη(a+b)nη(ab)=sinhβbcoshβaηcoshβb.

Case a = 0

nB(b)nB(b)=cothβb2,
nF(b)nF(b)=tanhβb2.

Case a → 0

nB(a+b)nB(ab)=cothβb2+nB(b)a2+,
nF(a+b)nF(ab)=tanhβb2+nF(b)a2+.

Case b → 0

nB(a+b)nB(ab)=2nB(a)b+,
nF(a+b)nF(ab)=2nF(a)b+.

The function cη

Definition:

cη(a,b)nη(a+b)nη(ab)2b.

For Bose and Fermi type:

cB(a,b)c+(a,b),
cF(a,b)c(a,b).

Relation to hyperbolic functions

cη(a,b)=sinhβb2b(coshβaηcoshβb).

It is obvious that cF(a,b) is positive definite. To avoid overflow in the numerical calculation, the tanh and coth functions are used

cB(a,b)=14b(cothβ(ab)2cothβ(a+b)2),
cF(a,b)=14b(tanhβ(a+b)2tanhβ(ab)2).

Case a = 0

cB(0,b)=12bcothβb2,
cF(0,b)=12btanhβb2.

Case b = 0

cB(a,0)=β4csch2βa2,
cF(a,0)=β4sech2βa2.

Low temperature limit

For a = 0: cF(0,b)=12|b|. For b = 0: cF(a,0)=δ(a). In general,

cF(a,b)={12|b|,if |a|<|b|0,if |a|>|b|

See also

External links

Agustin Nieto: Evaluating Sums over the Matsubara Frequencies. arXiv:hep-ph/9311210
Github repository: MatsubaraSum A Mathematica package for Matsubara frequency summation.
A. Taheridehkordi, S. Curnoe, J.P.F. LeBlanc: Algorithmic Matsubara Integration for Hubbard-like models.. arXiv:cond-mat/1808.05188

References

  1. Altland, Alexander; Simons, Ben D. (2010-03-11). Condensed Matter Field Theory. Cambridge University Press. doi:10.1017/cbo9780511789984. ISBN 978-0-521-76975-4.
  2. A. Abrikosov, L. Gor'kov, I. Dzyaloshinskii: Methods of Quantum Field Theory in Statistical Physics., New York, Dover Publ., 1975, ISBN 0-486-63228-8
  3. [Piers Coleman]: Introduction to Many-Body Physics., Cambridge University Press., 2015, ISBN 978-0-521-86488-6
  4. 4.0 4.1 Mahan, Gerald D. (2000). Many-particle physics (3rd ed.). New York: Kluwer Academic/Plenum Publishers. ISBN 0-306-46338-5. OCLC 43864386.
  5. Summation of series: Sommerfeld-Watson transformation, Lecture notes, M. G. Rozman